Time scales and mechanisms of relaxation in the energy landscape of polymer glass under deformation: direct atomistic modeling

Research output: Contribution to journalArticleAcademicpeer-review

54 Citations (Scopus)
138 Downloads (Pure)

Abstract

Mol.-dynamics simulation is used to explore the influence of thermal and mech. history of typical glassy polymers on their deformation. Polymer stress-strain and energy-strain developments have been followed for different deformation velocities, also in closed extension-recompression loops. The latter simulate for the first time the exptl. obsd. mech. rejuvenation and overaging of polymers, and energy partitioning reveals essential differences between mech. and thermal rejuvenation. All results can be qual. interpreted by considering the ratios of the relevant time scales: for cooling down, for deformation, and for segmental relaxation. [on SciFinder (R)]
Original languageEnglish
Pages (from-to)085504-1/4
Number of pages4
JournalPhysical Review Letters
Volume99
Issue number8
DOIs
Publication statusPublished - 2007

Fingerprint

glass
polymers
compressing
energy
histories
cooling
simulation

Cite this

@article{1323bfa3073d4594a65640e5f6dd293b,
title = "Time scales and mechanisms of relaxation in the energy landscape of polymer glass under deformation: direct atomistic modeling",
abstract = "Mol.-dynamics simulation is used to explore the influence of thermal and mech. history of typical glassy polymers on their deformation. Polymer stress-strain and energy-strain developments have been followed for different deformation velocities, also in closed extension-recompression loops. The latter simulate for the first time the exptl. obsd. mech. rejuvenation and overaging of polymers, and energy partitioning reveals essential differences between mech. and thermal rejuvenation. All results can be qual. interpreted by considering the ratios of the relevant time scales: for cooling down, for deformation, and for segmental relaxation. [on SciFinder (R)]",
author = "A.V. Lyulin and M.A.J. Michels",
year = "2007",
doi = "10.1103/PhysRevLett.99.085504",
language = "English",
volume = "99",
pages = "085504--1/4",
journal = "Physical Review Letters",
issn = "0031-9007",
publisher = "American Physical Society",
number = "8",

}

Time scales and mechanisms of relaxation in the energy landscape of polymer glass under deformation: direct atomistic modeling. / Lyulin, A.V.; Michels, M.A.J.

In: Physical Review Letters, Vol. 99, No. 8, 2007, p. 085504-1/4.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Time scales and mechanisms of relaxation in the energy landscape of polymer glass under deformation: direct atomistic modeling

AU - Lyulin, A.V.

AU - Michels, M.A.J.

PY - 2007

Y1 - 2007

N2 - Mol.-dynamics simulation is used to explore the influence of thermal and mech. history of typical glassy polymers on their deformation. Polymer stress-strain and energy-strain developments have been followed for different deformation velocities, also in closed extension-recompression loops. The latter simulate for the first time the exptl. obsd. mech. rejuvenation and overaging of polymers, and energy partitioning reveals essential differences between mech. and thermal rejuvenation. All results can be qual. interpreted by considering the ratios of the relevant time scales: for cooling down, for deformation, and for segmental relaxation. [on SciFinder (R)]

AB - Mol.-dynamics simulation is used to explore the influence of thermal and mech. history of typical glassy polymers on their deformation. Polymer stress-strain and energy-strain developments have been followed for different deformation velocities, also in closed extension-recompression loops. The latter simulate for the first time the exptl. obsd. mech. rejuvenation and overaging of polymers, and energy partitioning reveals essential differences between mech. and thermal rejuvenation. All results can be qual. interpreted by considering the ratios of the relevant time scales: for cooling down, for deformation, and for segmental relaxation. [on SciFinder (R)]

U2 - 10.1103/PhysRevLett.99.085504

DO - 10.1103/PhysRevLett.99.085504

M3 - Article

C2 - 17930956

VL - 99

SP - 085504-1/4

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 8

ER -